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88291-13-8 | Ethanol, 2,2'-[[2-(diethylamino)-4,6-pyrimidinediyl]diimino]bis-
CAS No: 88291-13-8 Catalog No: AG004A16 MDL No:
Product Description
Catalog Number:
AG004A16
Chemical Name:
Ethanol, 2,2'-[[2-(diethylamino)-4,6-pyrimidinediyl]diimino]bis-
CAS Number:
88291-13-8
Molecular Formula:
C12H23N5O2
Molecular Weight:
269.3433
IUPAC Name:
2-[[2-(diethylamino)-6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]ethanol
InChI:
InChI=1S/C12H23N5O2/c1-3-17(4-2)12-15-10(13-5-7-18)9-11(16-12)14-6-8-19/h9,18-19H,3-8H2,1-2H3,(H2,13,14,15,16)
InChI Key:
HNVMRYZRVUNDTO-UHFFFAOYSA-N
SMILES:
OCCNc1cc(NCCO)nc(n1)N(CC)CC
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.185g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
269.349g/mol
Monoisotopic Mass:
269.185g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
93.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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